4-(chloromethyl)-2-methoxy-1-[(2-methylphenyl)methyl]benzene

C16H17ClO — CID 22408155

IUPAC4-(chloromethyl)-2-methoxy-1-[(2-methylphenyl)methyl]benzene
SMILESCOc1cc(CCl)ccc1Cc1ccccc1C
InChIInChI=1S/C16H17ClO/c1-12-5-3-4-6-14(12)10-15-8-7-13(11-17)9-16(15)18-2/h3-9H,10-11H2,1-2H3
InChIKeyMGKBAVCMHIALTF-UHFFFAOYSA-N
MW260.76 g/mol
LogP4.33
Rot. Bonds4

About 4-(chloromethyl)-2-methoxy-1-[(2-methylphenyl)methyl]benzene

4-(chloromethyl)-2-methoxy-1-[(2-methylphenyl)methyl]benzene (PubChem CID 22408155) has the molecular formula C16H17ClO and a molecular weight of 260.76 g/mol. Its IUPAC name is 4-(chloromethyl)-2-methoxy-1-[(2-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name4-(chloromethyl)-2-methoxy-1-[(2-methylphenyl)methyl]benzene
PubChem CID22408155
Molecular FormulaC16H17ClO
Molecular Weight260.76 g/mol
Exact Mass260.10
IUPAC Name4-(chloromethyl)-2-methoxy-1-[(2-methylphenyl)methyl]benzene
SMILESCOc1cc(CCl)ccc1Cc1ccccc1C
InChIInChI=1S/C16H17ClO/c1-12-5-3-4-6-14(12)10-15-8-7-13(11-17)9-16(15)18-2/h3-9H,10-11H2,1-2H3
InChIKeyMGKBAVCMHIALTF-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[3-methoxy-4-[(2-methylphenyl)methyl]phenyl]methanol
CID 22408163
4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene
CID 107691185
1-(chloromethyl)-2-methylbenzene
CID 11093
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-methylpyridine
CID 112650689
[2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 106786180
4-benzyl-3-methoxyaniline
CID 22599955
5-(chloromethyl)-2-[(2-methoxyphenyl)methyl]pyrimidine
CID 55114023
2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]benzonitrile
CID 29279674
CID 88723030
CID 88723030
[4-[(2-methoxyphenyl)methyl]phenyl]methanol
CID 54205335
1-methoxy-2-[(4-phenylphenyl)methyl]benzene
CID 174370208

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-methoxy-1-[(2-methylphenyl)methyl]benzene?
The IUPAC name of 4-(chloromethyl)-2-methoxy-1-[(2-methylphenyl)methyl]benzene (CID 22408155) is 4-(chloromethyl)-2-methoxy-1-[(2-methylphenyl)methyl]benzene.
What is the SMILES notation for 4-(chloromethyl)-2-methoxy-1-[(2-methylphenyl)methyl]benzene?
The canonical SMILES for 4-(chloromethyl)-2-methoxy-1-[(2-methylphenyl)methyl]benzene is COc1cc(CCl)ccc1Cc1ccccc1C.
What is the InChIKey of 4-(chloromethyl)-2-methoxy-1-[(2-methylphenyl)methyl]benzene?
The InChIKey is MGKBAVCMHIALTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO/c1-12-5-3-4-6-14(12)10-15-8-7-13(11-17)9-16(15)18-2/h3-9H,10-11H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-methoxy-1-[(2-methylphenyl)methyl]benzene?
4-(chloromethyl)-2-methoxy-1-[(2-methylphenyl)methyl]benzene has a molecular weight of 260.76 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-methoxy-1-[(2-methylphenyl)methyl]benzene is sourced from PubChem (CID 22408155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).